SCHEMBL19985219

SCHEMBL19985219

C=CC1CCC(C2CCC(c3ccc(OCCCCCCC)c(F)c3F)CC2)CC1

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
SCN9A Q15858 1/20 0.32
CNR2 P34972 3/20 0.32
FPR2 P25090 1/20 0.31
KDM4E B2RXH2 1/20 0.31
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
S1PR5 Q9H228 2/20 0.31
S1PR1 P21453 1/20 0.31
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
IKBKB O14920 2/20 0.30
PTPN1 P18031 1/20 0.30
CNR1 P21554 2/20 0.30
MCHR1 Q99705 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19985218 1.00 GABRA1 (0.32) GABRA1GABRB2SCN9ACNR2FPR2
SCHEMBL19985203 1.00 GABRA1 (0.32) GABRA1GABRB2SCN9ACNR2FPR2
SCHEMBL19985236 1.00 GABRA1 (0.32) GABRA1GABRB2SCN9ACNR2FPR2
SCHEMBL19985211 0.99 GABRA1 (0.33) GABRA1GABRB2SCN9ACNR2FPR2
SCHEMBL15681355 0.95 SCN9A (0.35) GABRA1GABRB2SCN9ACNR2HTR1D
SCHEMBL8962581 0.93 GABRA1 (0.35) GABRA1GABRB2CNR2FPR2CNR1
SCHEMBL8962410 0.93 GABRA1 (0.35) GABRA1GABRB2CNR2FPR2CNR1
SCHEMBL8962318 0.93 GABRA1 (0.35) GABRA1GABRB2CNR2FPR2CNR1
SCHEMBL8962353 0.93 GABRA1 (0.35) GABRA1GABRB2CNR2FPR2CNR1
SCHEMBL19985537 0.92 GABRA1 (0.34) GABRA1GABRB2SCN9ACNR2FPR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180079959-A1 LIQUID CRYSTAL ELEMENT WITH NEGATIVE DIELECTRIC ANISOTROPY DIC CORPORATION (JP) 2018-03-22 US disclosed